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Substance Name: Dihydroergocristine mixture with 5-hydroxytryptophan
RN: 115756-35-9
InChIKey: HKTRYYJVIHMVPD-KMIRMHMASA-N

Note

  • Used to treat depression.

Molecular Formula

  • C11-H12-N2-O3.C35-H41-N5-O5

Molecular Weight

  • 831.9657
 
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Names and Synonyms

Results Name

  • Dihydroergocristine mixture with 5-hydroxytryptophan

Name of Substance

  • P 3007

Synonyms

  • Dihydroergocristine mixture with 5-hydroxytryptophan
  • P-3007

Systematic Name

  • L-Tryptophan, 5-hydroxy-, mixt. with (5'alpha,10alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methyethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione

Registry Numbers

CAS Registry Number

  • 115756-35-9

System Generated Number

  • 0115756359

Molecular Formulas

Molecular Formula

  • C11-H12-N2-O3.C35-H41-N5-O5

Molecular Formula Fragments

  • C11-H12-N2-O3
  • C35-H41-N5-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C35H41N5O5.C11H12N2O3/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t23-,25-,27-,28+,29+,34-,35+;9-/m10/s1

InChIKey

HKTRYYJVIHMVPD-KMIRMHMASA-N

Smiles

CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C.c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N